CID 135443077

2-methyl-6-phenyl-4-pyrimidinol

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CC1=NC(=CC(=O)N1)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O/c1-8-12-10(7-11(14)13-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)

InChIKey

YIDRCIOAPLVRFZ-UHFFFAOYSA-N

Compound name

2-methyl-4-phenyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 33
Patents: 186.07932 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.08660	138.3
[M+Na]+	209.06854	148.1
[M-H]-	185.07204	141.6
[M+NH4]+	204.11314	154.8
[M+K]+	225.04248	143.4
[M+H-H2O]+	169.07658	130.3
[M+HCOO]-	231.07752	159.9
[M+CH3COO]-	245.09317	151.4
[M+Na-2H]-	207.05399	146.2
[M]+	186.07877	137.0
[M]-	186.07987	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe